2-[4-[[4-(1-cyclohexyl-5-methyl-4-propan-2-yl-imidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[4-(1-cyclohexyl-5-methyl-4-propan-2-yl-imidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(1-cyclohexyl-4-isopropyl-5-methyl-imidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-(1-cyclohexyl-5-methyl-4-propan-2-yl-2-imidazolyl)-1-methyl-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(1-cyclohexyl-5-methyl-4-propan-2-ylimidazol-2-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-(1-cyclohexyl-4-isopropyl-5-methyl-imidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C38H45N4O2+ MolecularWeight: 589.7895

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC(=C(N5C6CCCCC6)C)C(C)C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC(=C(N5C6CCCCC6)C)C(C)C

InChI

InChI=1S/C38H44N4O2/c1-6-13-34-39-36-32(37-40-35(25(2)3)26(4)41(37)29-14-8-7-9-15-29)18-12-19-33(36)42(34,5)24-27-20-22-28(23-21-27)30-16-10-11-17-31(30)38(43)44/h10-12,16-23,25,29H,6-9,13-15,24H2,1-5H3/p+1